Research workbench
Crystal structure of putative amino acid binding periplasmic ABC transporter protein from candidatus liberibacter asiaticus in complex with cystine
Analyse Crystal structure of putative amino acid binding periplasmic ABC transporter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A80
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative amino acid-binding periplasmic ABC transporter protein
- UniProt
- C6XGT2
- Ligands
- CYS
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative amino acid-binding periplasmic ABC transporter protein | protein | 234 | 40% helix, 29% strand | C6XGT2 |
Ligands and binding sites
- CYS · Cysteine · ligand · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.81 | 0.89 | 44 | EDO, CYS |
| 2 | 154 | 0.80 | 0.97 | 26 | empty |
| 3 | 392 | 0.80 | 0.89 | 44 | EDO, CYS |
| 4 | 261 | 0.53 | 0.76 | 33 | ACT, GOL |
Interfaces
1 interface between chains.
- A–B · 1366 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6A80 · Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt C6XGT2
- Elsewhere: RCSB PDB 6A80 · PDBe 6A80 · UniProt C6XGT2
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